CFAM Mol ID	CFAMM00278012
Family	CFFID2860 Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family
Superfamily	CFSID192 Integrin alpha-V and Integrin beta-3 Binder Superfamily
Class	CFCAD260 Class 260
External ID	CHEMBL165488	External Source	CHEMBL
PubChem CID	44378195	Functional Category	Bioactive
Molecule Name	(3R,4R,7S,13S,16R)-16-acetamido-7-(carboxymethyl)-13-[3-(diaminomethylideneamino)propyl]-14-methyl-6,9,12,15-tetraoxo-3-phenyl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acid
IUPAC Name	(3R,4R,7S,13S,16R)-16-acetamido-7-(carboxymethyl)-13-[3-(diaminomethylideneamino)propyl]-14-methyl-6,9,12,15-tetraoxo-3-phenyl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acid
Synonyms	CHEBI:375111
InChi	InChI=1S/C27H38N8O9S2/c1-14(36)32-17-13-45-46-22(15-7-4-3-5-8-15)21(26(43)44)34-23(40)16(11-20(38)39)33-19(37)12-31-24(41)18(35(2)25(17)42)9-6-10-30-27(28)29/h3-5,7-8,16-18,21-22H,6,9-13H2,1-2H3,(H,31,41)(H,32,36)(H,33,37)(H,34,40)(H,38,39)(H,43,44)(H4,28,29,30)/t16-,17-,18-,21-,22+/m0/s1
InChiKey	UAPVZXWNLBOZAW-FHHGAAIESA-N
Formula	C27H38N8O9S2	Molecular Weight	682.77
Cross Link	CHEMBL165488
Structure

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

Last update by

2014.08.29

48708 visits since 2014 .........

Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

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